N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[6-methyl-2-(4-propan-2-ylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(6-methyl-2-p-cumenyl-benzotriazol-5-yl)thiocarbamoyl]-3-nitro-benzamide Formula: C24H22N6O3S MolecularWeight: 474.53488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C24H22N6O3S/c1-14(2)16-7-9-18(10-8-16)29-27-21-11-15(3)20(13-22(21)28-29)25-24(34)26-23(31)17-5-4-6-19(12-17)30(32)33/h4-14H,1-3H3,(H2,25,26,31,34)